3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide

C14H16FN3O — CID 63044726

IUPAC3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H16FN3O/c15-13-5-4-12(7-10(13)8-16)18-14(19)9-2-1-3-11(17)6-9/h4-5,7,9,11H,1-3,6,17H2,(H,18,19)
InChIKeyCYFVTZFLIKETBF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.15
Rot. Bonds2

About 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide

3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 63044726) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID63044726
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCC(N)C2)ccc1F
InChIInChI=1S/C14H16FN3O/c15-13-5-4-12(7-10(13)8-16)18-14(19)9-2-1-3-11(17)6-9/h4-5,7,9,11H,1-3,6,17H2,(H,18,19)
InChIKeyCYFVTZFLIKETBF-UHFFFAOYSA-N
XLogP2.15
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dicyanophenyl)cyclohexane-1-carboxamide
CID 107790584
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
CID 119705036
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208842
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide (CID 63044726) is 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide is N#Cc1cc(NC(=O)C2CCCC(N)C2)ccc1F.
What is the InChIKey of 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is CYFVTZFLIKETBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-5-4-12(7-10(13)8-16)18-14(19)9-2-1-3-11(17)6-9/h4-5,7,9,11H,1-3,6,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63044726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).